CID 165904472

3-[nitroso(propan-2-yl)amino]propanoic acid

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CC(C)N(CCC(=O)O)N=O
InChI
InChI=1S/C6H12N2O3/c1-5(2)8(7-11)4-3-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey
HQDHGOHKNMCNRK-UHFFFAOYSA-N
Compound name
3-[nitroso(propan-2-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 133.4
[M+Na]+ 183.07402 139.1
[M-H]- 159.07752 135.2
[M+NH4]+ 178.11862 154.0
[M+K]+ 199.04796 141.3
[M+H-H2O]+ 143.08206 127.6
[M+HCOO]- 205.08300 158.8
[M+CH3COO]- 219.09865 186.3
[M+Na-2H]- 181.05947 137.6
[M]+ 160.08425 135.9
[M]- 160.08535 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.